5-[2-(4-fluorophenyl)ethylsulfonyl]-1-phenyltetrazole

C15H13FN4O2S — CID 56965739

IUPAC5-[2-(4-fluorophenyl)ethylsulfonyl]-1-phenyltetrazole
SMILESO=S(=O)(CCc1ccc(F)cc1)c1nnnn1-c1ccccc1
InChIInChI=1S/C15H13FN4O2S/c16-13-8-6-12(7-9-13)10-11-23(21,22)15-17-18-19-20(15)14-4-2-1-3-5-14/h1-9H,10-11H2
InChIKeyIDDVKAPYSSGYSK-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.82
Rot. Bonds5

About 5-[2-(4-fluorophenyl)ethylsulfonyl]-1-phenyltetrazole

5-[2-(4-fluorophenyl)ethylsulfonyl]-1-phenyltetrazole (PubChem CID 56965739) has the molecular formula C15H13FN4O2S and a molecular weight of 332.36 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)ethylsulfonyl]-1-phenyltetrazole.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)ethylsulfonyl]-1-phenyltetrazole
PubChem CID56965739
Molecular FormulaC15H13FN4O2S
Molecular Weight332.36 g/mol
Exact Mass332.07
IUPAC Name5-[2-(4-fluorophenyl)ethylsulfonyl]-1-phenyltetrazole
SMILESO=S(=O)(CCc1ccc(F)cc1)c1nnnn1-c1ccccc1
InChIInChI=1S/C15H13FN4O2S/c16-13-8-6-12(7-9-13)10-11-23(21,22)15-17-18-19-20(15)14-4-2-1-3-5-14/h1-9H,10-11H2
InChIKeyIDDVKAPYSSGYSK-UHFFFAOYSA-N
XLogP1.82
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[2-(4-fluorophenyl)ethylsulfonyl]-1-phenyltetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-(1,3-benzodioxol-5-yl)ethylsulfonyl]-1-phenyltetrazole
CID 46869109
3-(1-phenyltetrazol-5-yl)sulfonylpropanenitrile
CID 3242053
5-(3-nitropropylsulfonyl)-1-phenyltetrazole
CID 72722820
5-[(2S)-2-methylbutyl]sulfonyl-1-phenyltetrazole
CID 10707883
3,3-dimethyl-1-(1-phenyltetrazol-5-yl)sulfonylbutan-2-one
CID 50992481
2-benzyl-4-(1-phenyltetrazol-5-yl)sulfonyl-2-[4-(trifluoromethyl)phenyl]sulfonylbutanenitrile
CID 162539192
5-[(3-nitrophenyl)methylsulfonyl]-1-phenyltetrazole
CID 146319143
2-(4-fluorophenyl)-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 30857695
4-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]aniline
CID 43519808
[(2R,3S)-3-[2-(1-phenyltetrazol-5-yl)sulfonylethyl]oxiran-2-yl] N,N-di(propan-2-yl)carbamate
CID 71475268
1-[(4-methoxyphenyl)methyl]-5-(3-phenylpropylsulfonyl)tetrazole
CID 176890412
1-(4-fluorophenyl)tetrazole-5-carboxylic acid
CID 83883582

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)ethylsulfonyl]-1-phenyltetrazole?
The IUPAC name of 5-[2-(4-fluorophenyl)ethylsulfonyl]-1-phenyltetrazole (CID 56965739) is 5-[2-(4-fluorophenyl)ethylsulfonyl]-1-phenyltetrazole.
What is the SMILES notation for 5-[2-(4-fluorophenyl)ethylsulfonyl]-1-phenyltetrazole?
The canonical SMILES for 5-[2-(4-fluorophenyl)ethylsulfonyl]-1-phenyltetrazole is O=S(=O)(CCc1ccc(F)cc1)c1nnnn1-c1ccccc1.
What is the InChIKey of 5-[2-(4-fluorophenyl)ethylsulfonyl]-1-phenyltetrazole?
The InChIKey is IDDVKAPYSSGYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2S/c16-13-8-6-12(7-9-13)10-11-23(21,22)15-17-18-19-20(15)14-4-2-1-3-5-14/h1-9H,10-11H2.
What are the key properties of 5-[2-(4-fluorophenyl)ethylsulfonyl]-1-phenyltetrazole?
5-[2-(4-fluorophenyl)ethylsulfonyl]-1-phenyltetrazole has a molecular weight of 332.36 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)ethylsulfonyl]-1-phenyltetrazole is sourced from PubChem (CID 56965739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).